2-{[(7E)-2,3-Dihydroxy-8-(6-Pentyltetrahydro-2H-Pyran-2-Yl)-7-Octenoyl]Amino}Ethanesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H37NO7S |
| IUPAC Name | 2-[[(e,2s,3r)-2,3-dihydroxy-8-[(2s,6s)-6-pentyltetrahydropyran-2-yl]oct-7-enoyl]amino]ethanesulfonic acid |
| Molecular Mass | 435.575 g·mol−1 |
| Heat of Formation | -1500.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.08 ± 1.08 D |
| Volume | 535.08 Å 3 |
| Surface Area | 476.64 Å 2 |
| HOMO Energy | -9.38 ± 0.55 eV |
| LUMO Energy | 0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FIJLBEBGHVOOJE-VQTJOKBNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |